Bridging the Gap Between Protein Structure and Dynamics
Author | : Jeffrey Alan Hanson |
Publisher | : |
Total Pages | : 488 |
Release | : 2009 |
Genre | : |
ISBN | : |
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Author | : Jeffrey Alan Hanson |
Publisher | : |
Total Pages | : 488 |
Release | : 2009 |
Genre | : |
ISBN | : |
Author | : Adam Liwo |
Publisher | : Springer |
Total Pages | : 851 |
Release | : 2018-12-19 |
Genre | : Technology & Engineering |
ISBN | : 3319958437 |
This book provides a comprehensive overview of modern computer-based techniques for analyzing the structure, properties and dynamics of biomolecules and biomolecular processes. It is organized in four main parts; the first one deals with methodology of molecular simulations; the second one with applications of molecular simulations; the third one introduces bioinformatics methods and the use of experimental information in molecular simulations; the last part reports on selected applications of molecular quantum mechanics. This second edition has been thoroughly revised and updated to include the latest progresses made in the respective field of research.
Author | : Richard A. Friesner |
Publisher | : John Wiley & Sons |
Total Pages | : 544 |
Release | : 2004-04-07 |
Genre | : Science |
ISBN | : 0471465232 |
Since the first attempts to model proteins on a computer began almost thirty years ago, our understanding of protein structure and dynamics has dramatically increased. Spectroscopic measurement techniques continue to improve in resolution and sensitivity, allowing a wealth of information to be obtained with regard to the kinetics of protein folding and unfolding, and complementing the detailed structural picture of the folded state. Concurrently, algorithms, software, and computational hardware have progressed to the point where both structural and kinetic problems may be studied with a fair degree of realism. Despite these advances, many major challenges remain in understanding protein folding at both the conceptual and practical levels. Computational Methods for Protein Folding seeks to illuminate recent advances in computational modeling of protein folding in a way that will be useful to physicists, chemists, and chemical physicists. Covering a broad spectrum of computational methods and practices culled from a variety of research fields, the editors present a full range of models that, together, provide a thorough and current description of all aspects of protein folding. A valuable resource for both students and professionals in the field, the book will be of value both as a cutting-edge overview of existing information and as a catalyst for inspiring new studies. Computational Methods for Protein Folding is the 120th volume in the acclaimed series Advances in Chemical Physics, a compilation of scholarly works dedicated to the dissemination of contemporary advances in chemical physics, edited by Nobel Prize-winner Ilya Prigogine.
Author | : Bruce Alberts |
Publisher | : |
Total Pages | : 0 |
Release | : 2002 |
Genre | : Cytology |
ISBN | : 9780815332183 |
Author | : Russ B Altman |
Publisher | : World Scientific |
Total Pages | : 500 |
Release | : 2009-10-23 |
Genre | : Mathematics |
ISBN | : 9814465658 |
The Pacific Symposium on Biocomputing (PSB) 2010 is an international, multidisciplinary conference for the presentation and discussion of current research in the theory and application of computational methods in problems of biological significance. Presentations are rigorously peer reviewed and are published in an archival proceedings volume. PSB 2010 will be held on January 4 - 8, 2010 in Kohala Coast, Hawaii. Tutorials and workshops will be offered prior to the start of the conference.PSB 2010 will bring together top researchers from the US, Asia Pacific, and around the world to exchange research results and address pertinent issues in all aspects of computational biology. It is a forum for the presentation of work in databases, algorithms, interfaces, visualization, modeling, and other computational methods, as applied to biological problems, with emphasis on applications in data-rich areas of molecular biology.The PSB has been designed to be responsive to the need for critical mass in sub-disciplines within biocomputing. For that reason, it is the only meeting whose sessions are defined dynamically each year in response to specific proposals. PSB sessions are organized by leaders of research in biocomputing's “hot topics”. In this way, the meeting provides an early forum for serious examination of emerging methods and approaches in this rapidly changing field.
Author | : |
Publisher | : Academic Press |
Total Pages | : 484 |
Release | : 2014-03-11 |
Genre | : Science |
ISBN | : 0128003731 |
This eclectic volume features two major topics: applications of mass spectrometry in bioscience; and computational methods for analysis of protein structure and interactions with other macromolecules. Published continuously since 1944, the Advances in Protein Chemistry and Structural Biology series has been the essential resource for protein chemists. Each volume brings forth new information about protocols and analysis of proteins. Each thematically organized volume is guest edited by leading experts in a broad range of protein-related topics. Describes advances in application of powerful techniques in a wide bioscience area Chapters are written by authorities in their field Targeted to a wide audience of researchers, specialists, and students The information provided in the volume is well supported by a number of high quality illustrations, figures, and tables
Author | : Ke-li Han |
Publisher | : Springer Science & Business Media |
Total Pages | : 488 |
Release | : 2014-01-20 |
Genre | : Medical |
ISBN | : 3319029703 |
This book discusses how biological molecules exert their function and regulate biological processes, with a clear focus on how conformational dynamics of proteins are critical in this respect. In the last decade, the advancements in computational biology, nuclear magnetic resonance including paramagnetic relaxation enhancement, and fluorescence-based ensemble/single-molecule techniques have shown that biological molecules (proteins, DNAs and RNAs) fluctuate under equilibrium conditions. The conformational and energetic spaces that these fluctuations explore likely contain active conformations that are critical for their function. More interestingly, these fluctuations can respond actively to external cues, which introduces layers of tight regulation on the biological processes that they dictate. A growing number of studies have suggested that conformational dynamics of proteins govern their role in regulating biological functions, examples of this regulation can be found in signal transduction, molecular recognition, apoptosis, protein / ion / other molecules translocation and gene expression. On the experimental side, the technical advances have offered deep insights into the conformational motions of a number of proteins. These studies greatly enrich our knowledge of the interplay between structure and function. On the theoretical side, novel approaches and detailed computational simulations have provided powerful tools in the study of enzyme catalysis, protein / drug design, protein / ion / other molecule translocation and protein folding/aggregation, to name but a few. This work contains detailed information, not only on the conformational motions of biological systems, but also on the potential governing forces of conformational dynamics (transient interactions, chemical and physical origins, thermodynamic properties). New developments in computational simulations will greatly enhance our understanding of how these molecules function in various biological events.
Author | : Russ B. Altman |
Publisher | : World Scientific |
Total Pages | : 502 |
Release | : 2009-10-23 |
Genre | : Mathematics |
ISBN | : 9814295299 |
The Pacific Symposium on Biocomputing (PSB) 2010 is an international, multidisciplinary conference for the presentation and discussion of current research in the theory and application of computational methods in problems of biological significance. Presentations are rigorously peer reviewed and are published in an archival proceedings volume. PSB 2010 will be held on January 4 - 8, 2010 in Kohala Coast, Hawaii. Tutorials and workshops will be offered prior to the start of the conference. PSB 2010 will bring together top researchers from the US, Asia Pacific, and around the world to exchange research results and address pertinent issues in all aspects of computational biology. It is a forum for the presentation of work in databases, algorithms, interfaces, visualization, modeling, and other computational methods, as applied to biological problems, with emphasis on applications in data-rich areas of molecular biology. The PSB has been designed to be responsive to the need for critical mass in sub-disciplines within biocomputing. For that reason, it is the only meeting whose sessions are defined dynamically each year in response to specific proposals. PSB sessions are organized by leaders of research in biocomputing's "hot topics". In this way, the meeting provides an early forum for serious examination of emerging methods and approaches in this rapidly changing field.
Author | : Philippe B Wilson |
Publisher | : Royal Society of Chemistry |
Total Pages | : 383 |
Release | : 2020-12-08 |
Genre | : Science |
ISBN | : 1788019857 |
As analysis, in terms of detection limits and technological innovation, in chemical and biological fields has developed so computational techniques have advanced enabling greater understanding of the data. Indeed, it is now possible to simulate spectral data to an excellent level of accuracy, allowing chemists and biologists access to robust and reliable analytical methodologies both experimentally and theoretically. This work will serve as a definitive overview of the field of computational simulation as applied to analytical chemistry and biology, drawing on recent advances as well as describing essential, established theory. Computational approaches provide additional depth to biochemical problems, as well as offering alternative explanations to atomic scale phenomena. Highlighting the innovative and wide-ranging breakthroughs made by leaders in computational spectrum prediction and the application of computational methodologies to analytical science, this book is for graduates and postgraduate researchers showing how computational analytical methods have become accessible across disciplines. Contributed chapters originate from a group of internationally-recognised leaders in the field, each applying computational techniques to develop our understanding of and supplement the data obtained from experimental analytical science.
Author | : Andrew Gamble |
Publisher | : Springer |
Total Pages | : 332 |
Release | : 2014-11-13 |
Genre | : Science |
ISBN | : 3319099760 |
In this volume, a detailed description of cutting-edge computational methods applied to protein modeling as well as specific applications are presented. Chapters include: the application of Car-Parrinello techniques to enzyme mechanisms, the outline and application of QM/MM methods, polarizable force fields, recent methods of ligand docking, molecular dynamics related to NMR spectroscopy, computer optimization of absorption, distribution, metabolism and excretion extended by toxicity for drugs, enzyme design and bioinformatics applied to protein structure prediction. A keen emphasis is laid on the clear presentation of complex concepts, since the book is primarily aimed at Ph.D. students, who need an insight in up-to-date protein modeling. The inclusion of descriptive, color figures will allow the reader to get a pictorial representation of complicated structural issues.